#\#CIF_2.0 #------------------------------------------------------------------------------ #$Date: 2018-05-24 15:50:32 +0300 (Thu, 24 May 2018) $ #$Revision: 820 $ #$URL: svn://172.16.1.111/rod/cif/1/00/03/1000310.rod $ #------------------------------------------------------------------------------ # # This file is available in the Raman Open Database (ROD), # http://solsa.crystallography.net/rod/ # # All data on this site have been placed in the public domain by the # contributors. # data_1000310 loop_ _publ_author_name 'Rastsvetaeva, R. K.' 'Chukanov, N. V.' 'Pekov, I. V.' 'Shlyukova, Z. V.' 'Khomyakov, A. P.' _publ_section_title ; Structures of two potassium-rich labuntsovites in relation to the crystal chemistry of minerals of the labuntsovite-nenadkevichite family Sample: I ; _journal_name_full 'Crystallography Reports' _journal_page_first 820 _journal_page_last 827 _journal_volume 43 _journal_year 1998 _chemical_compound_source R110169 _chemical_formula_sum 'H15.68 K3.4 Mn0.2 Na2 Nb0.8 O32.4 Si8 Ti3.2' _chemical_name_mineral Labuntsovite-Mn _space_group_IT_number 12 _symmetry_space_group_name_Hall '-C 2y' _symmetry_space_group_name_H-M 'C 1 2/m 1' _cell_angle_alpha 90 _cell_angle_beta 116.9 _cell_angle_gamma 90 _cell_length_a 14.42 _cell_length_b 13.91 _cell_length_c 7.8 _cell_volume 1395.254 _exptl_crystal_density_diffrn 2.800 _cod_original_formula_sum 'Na2 K3.4 (Ti3.2 Nb.8) Mn.2 Si8 O32.4 H15.68' _cod_database_code 9012633 _raman_determination_method experimental _raman_measurement_device.location 'Arizona University' _raman_measurement_device.company 'Thermo Scientific' _raman_measurement_device.model 'Nicolet Almega XR' _raman_measurement_device.optics_type microscope _raman_measurement_device.microscope_system dispersive _raman_measurement_device.microscope_objective_magnification 50 _raman_measurement_device.microscope_numerical_aperture 0.5 _raman_measurement_device.excitation_laser_type other _raman_measurement_device.excitation_laser_wavelength 532 _raman_measurement_device.configuration simple _raman_measurement_device.resolution 4 _raman_measurement_device.power_on_sample 15 _raman_measurement_device.direction_polarization unoriented _raman_measurement_device.spot_size 1 _raman_measurement_device.diffraction_grating 400 _raman_measurement.environment Air _raman_measurement.environment_details ; The sample was measured in air. ; _raman_measurement.temperature 300 _raman_measurement.pressure 100 _raman_measurement.background_subtraction no _raman_measurement.background_subtraction_details ; No background subtraction method was applied. ; _raman_measurement.baseline_correction no _raman_measurement.baseline_correction_details ; No baseline correction method was applied. ; _raman_measurement.integration_time 10 _rod_data_source.file R110169.rod _rod_data_source.block 3500000 _rod_database.code 1000310 loop_ _raman_complementary.id _raman_complementary.method 1 XRD loop_ _raman_measurement_device_calibration.id _raman_measurement_device_calibration.standard 1 neon_lamp loop_ _rod_related_entry.id _rod_related_entry.code _rod_related_entry.database _rod_related_entry.uri _rod_related_entry.description 1 9012633 COD http://www.crystallography.net/cod/9012633.html ; XRD analysis data was done. ; loop_ _raman_spectrum.raman_shift _raman_spectrum.intensity 177.2732 0.0000000E+00 177.7553 1.269745 178.2374 2.046021 178.7195 2.617096 179.2017 3.902496 179.6838 4.674408 180.1659 3.922974 180.6480 3.370880 181.1301 2.042450 181.6122 1.669586 182.0944 2.513702 182.5765 2.929688 183.0586 1.671783 183.5407 0.4139100 184.0228 1.401337 184.5049 1.168518 184.9871 0.4623110 185.4692 0.1529850 185.9513 0.1647030 186.4334 0.1495060 186.9155 4.8096001E-02 187.3976 0.3947140 187.8798 0.8110350 188.3619 1.272034 188.8440 1.827301 189.3261 2.471436 189.8082 3.221619 190.2903 4.186340 190.7725 5.734680 191.2546 7.695007 191.7367 8.737732 192.2188 8.642120 192.7009 8.080963 193.1830 8.087616 193.6652 8.653503 194.1473 9.461884 194.6294 10.42456 195.1115 11.51993 195.5936 12.43091 196.0757 13.03745 196.5579 13.62228 197.0400 14.87946 197.5221 16.88394 198.0042 18.74792 198.4863 20.05832 198.9684 20.80878 199.4506 21.00082 199.9327 20.39474 200.4148 19.53134 200.8969 19.71072 201.3790 21.10873 201.8611 22.64090 202.3433 23.57803 202.8254 23.83798 203.3075 24.57715 203.7896 26.02621 204.2717 27.85577 204.7538 29.07147 205.2360 29.44131 205.7181 30.02496 206.2002 31.68405 206.6823 34.67966 207.1644 36.89557 207.6465 37.99658 208.1287 38.29578 208.6108 38.64551 209.0929 38.90891 209.5750 39.58649 210.0571 41.18430 210.5392 44.03479 211.0214 46.29596 211.5035 47.79282 211.9856 48.61008 212.4677 49.00571 212.9498 48.85220 213.4319 48.59610 213.9140 48.52524 214.3962 48.71542 214.8783 48.84631 215.3604 48.85406 215.8425 48.79251 216.3246 48.92468 216.8067 49.44733 217.2889 49.78671 217.7710 49.50620 218.2531 48.30566 218.7352 47.39197 219.2173 47.06342 219.6994 47.08252 220.1816 46.25116 220.6637 44.00211 221.1458 41.83926 221.6279 40.88043 222.1100 41.83524 222.5921 42.07602 223.0743 41.28357 223.5564 39.62198 224.0385 37.70352 224.5206 35.29904 225.0027 33.07977 225.4848 31.48395 225.9670 30.70135 226.4491 30.16647 226.9312 30.00766 227.4133 30.08878 227.8954 29.69110 228.3775 28.64172 228.8597 27.38782 229.3418 26.22116 229.8239 25.26556 230.3060 24.06622 230.7881 22.33163 231.2702 20.28406 231.7524 19.11963 232.2345 19.17822 232.7166 19.62808 233.1987 20.06256 233.6808 20.68130 234.1629 20.79727 234.6451 20.17606 235.1272 18.66815 235.6093 17.38589 236.0914 16.34579 236.5735 15.50009 237.0556 14.82364 237.5378 14.32120 238.0199 14.02679 238.5020 14.13525 238.9841 14.45920 239.4662 14.20636 239.9483 13.04401 240.4305 11.79614 240.9126 10.92502 241.3947 10.66553 241.8768 10.18930 242.3589 9.501495 242.8410 8.639191 243.3232 7.603302 243.8053 6.165894 244.2874 4.845764 244.7695 3.902435 245.2516 3.352020 245.7337 3.121704 246.2159 3.393951 246.6980 3.947571 247.1801 4.058990 247.6622 3.495544 248.1443 2.827209 248.6264 2.281952 249.1086 1.739288 249.5907 1.607391 250.0728 2.023071 250.5549 2.819183 251.0370 3.515717 251.5191 3.909973 252.0013 4.543121 252.4834 5.862762 252.9655 8.651184 253.4476 9.939850 253.9297 8.856567 254.4118 6.670502 254.8940 6.335846 255.3761 8.800232 255.8582 11.44052 256.3403 13.02756 256.8224 12.96521 257.3046 13.87573 257.7867 16.25003 258.2688 19.26312 258.7509 21.20483 259.2330 21.49570 259.7151 21.84671 260.1973 22.93042 260.6794 24.87625 261.1615 26.89703 261.6436 28.96915 262.1257 31.11938 262.6078 33.48953 263.0900 36.33557 263.5721 38.76279 264.0542 40.29398 264.5363 40.74518 265.0184 41.72693 265.5005 43.44159 265.9827 45.47589 266.4648 47.18457 266.9469 48.33572 267.4290 49.83170 267.9111 52.12350 268.3932 55.28027 268.8754 57.84781 269.3575 59.64157 269.8396 61.11029 270.3217 62.75491 270.8038 64.56226 271.2859 66.57239 271.7681 69.01105 272.2502 71.82120 272.7323 73.47202 273.2144 73.60007 273.6965 73.25427 274.1786 73.62857 274.6608 74.90097 275.1429 75.90384 275.6250 76.20245 276.1071 75.94708 276.5892 76.35599 277.0714 77.59808 277.5535 79.02887 278.0356 80.10565 278.5177 80.82083 278.9998 81.14716 279.4819 80.75998 279.9641 80.03455 280.4462 80.96149 280.9283 83.90839 281.4104 86.92645 281.8925 88.27655 282.3746 87.93600 282.8568 87.73862 283.3389 87.87164 283.8210 88.44031 284.3031 90.05457 284.7852 92.88309 285.2673 95.46191 285.7495 96.36530 286.2316 95.78076 286.7137 96.18845 287.1958 98.14874 287.6779 100.8932 288.1600 102.6886 288.6422 103.5139 289.1243 104.6100 289.6064 106.8040 290.0885 109.9462 290.5706 113.4013 291.0527 117.2841 291.5349 121.0012 292.0170 123.3538 292.4991 124.4347 292.9812 125.5513 293.4633 127.5704 293.9454 130.1878 294.4276 132.3522 294.9097 133.9101 295.3918 135.3879 295.8739 137.6222 296.3560 140.4250 296.8381 142.9790 297.3203 144.5338 297.8024 145.6211 298.2845 147.4114 298.7666 149.9796 299.2487 152.7911 299.7308 155.5058 300.2130 158.0832 300.6951 160.3683 301.1772 161.9923 301.6593 163.4354 302.1414 165.5143 302.6235 168.2002 303.1057 170.9058 303.5878 173.0787 304.0699 174.9198 304.5520 176.8120 305.0341 179.3498 305.5162 181.5618 305.9984 182.2505 306.4805 181.5664 306.9626 180.5343 307.4447 179.7966 307.9268 179.1508 308.4089 178.3809 308.8911 177.5201 309.3732 176.3846 309.8553 174.8257 310.3374 172.9226 310.8195 170.7908 311.3016 168.2686 311.7838 165.7497 312.2659 163.7030 312.7480 162.3722 313.2301 160.8016 313.7122 158.5392 314.1943 155.6102 314.6765 152.1159 315.1586 147.4388 315.6407 142.6743 316.1228 138.4234 316.6049 134.7897 317.0870 131.4543 317.5692 128.4403 318.0513 125.6513 318.5334 122.9837 319.0155 120.5051 319.4976 117.9934 319.9797 115.3509 320.4619 112.5836 320.9440 109.8507 321.4261 107.1628 321.9082 104.4839 322.3903 101.7877 322.8724 98.91577 323.3546 96.38937 323.8367 94.55951 324.3188 93.33679 324.8009 91.80908 325.2830 89.47839 325.7651 87.14920 326.2473 85.35840 326.7294 84.46750 327.2115 83.64679 327.6936 82.85635 328.1757 82.09866 328.6578 81.25403 329.1400 79.91907 329.6221 78.77954 330.1042 78.12158 330.5863 78.26685 331.0684 78.39099 331.5505 78.35370 332.0327 78.37854 332.5148 78.91916 332.9969 80.20496 333.4790 81.62326 333.9611 83.01788 334.4432 84.41733 334.9254 85.72464 335.4075 87.03928 335.8896 88.16339 336.3717 88.62299 336.8538 87.78326 337.3359 87.86118 337.8180 89.89117 338.3001 93.81760 338.7823 96.21802 339.2644 96.71716 339.7465 96.41995 340.2286 96.35852 340.7107 96.60944 341.1928 96.68088 341.6750 96.36713 342.1571 95.85455 342.6392 96.11435 343.1213 97.33853 343.6034 98.32370 344.0855 98.01816 344.5677 96.48669 345.0498 95.12607 345.5319 94.15384 346.0140 93.36115 346.4961 92.36591 346.9782 91.17935 347.4604 89.89920 347.9425 88.33115 348.4246 86.67776 348.9067 85.94501 349.3888 86.33902 349.8709 86.88678 350.3531 86.31332 350.8352 84.85895 351.3173 83.42572 351.7994 82.27667 352.2815 81.41394 352.7636 80.95329 353.2458 80.89008 353.7279 80.78943 354.2100 80.44803 354.6921 79.79013 355.1742 78.66315 355.6563 76.71854 356.1385 74.58017 356.6206 73.18253 357.1027 72.25816 357.5848 70.54810 358.0669 66.46260 358.5490 61.63446 359.0312 57.71838 359.5133 55.38338 359.9954 53.11172 360.4775 50.03267 360.9596 46.36243 361.4417 42.62006 361.9239 38.47685 362.4060 34.69421 362.8881 31.83026 363.3702 30.11447 363.8523 28.38736 364.3344 26.40039 364.8166 24.15994 365.2987 21.64926 365.7808 18.76315 366.2629 15.78496 366.7450 12.62369 367.2271 9.288193 367.7093 6.436295 368.1914 4.566147 368.6735 2.931900 369.1556 1.023987 369.6377 2.176682 370.1198 4.327240 370.6020 4.739731 371.0841 3.957474 371.5662 3.961395 372.0483 5.221298 372.5304 6.698059 373.0125 8.048172 373.4947 9.408951 373.9768 10.17860 374.4589 10.12596 374.9410 9.679443 375.4231 9.558655 375.9052 9.933075 376.3874 10.13824 376.8695 9.893723 377.3516 9.209671 377.8337 8.885895 378.3158 9.099701 378.7979 9.162872 379.2801 8.086731 379.7622 5.772629 380.2443 4.312149 380.7264 4.359360 381.2085 5.291641 381.6906 5.300949 382.1728 4.368271 382.6549 3.600677 383.1370 4.040665 383.6191 5.342728 384.1012 6.104660 384.5833 6.149384 385.0655 5.797394 385.5476 5.484421 386.0297 5.146225 386.5118 4.559357 386.9939 3.408569 387.4760 2.019730 387.9582 0.7910460 388.4403 0.2824710 388.9224 1.100433 389.4045 1.286728 389.8866 1.238998 390.3687 1.533356 390.8509 2.550476 391.3330 3.761093 391.8151 4.864761 392.2972 5.871033 392.7793 6.834351 393.2614 7.717636 393.7436 8.602768 394.2257 9.568390 394.7078 10.62383 395.1899 11.74551 395.6720 12.92726 396.1541 14.16560 396.6363 15.45706 397.1184 16.96021 397.6005 18.36453 398.0826 19.50964 398.5647 20.34619 399.0468 21.28613 399.5290 22.72037 400.0111 24.07422 400.4932 24.88016 400.9753 24.54910 401.4574 24.46794 401.9395 24.86719 402.4217 25.63361 402.9038 26.24178 403.3859 26.75798 403.8680 27.02121 404.3501 26.88300 404.8322 26.15811 405.3144 25.66606 405.7965 25.40448 406.2786 25.37961 406.7607 25.79855 407.2428 26.84517 407.7249 27.30353 408.2071 26.56688 408.6892 24.85196 409.1713 23.49130 409.6534 22.48830 410.1355 21.80063 410.6176 21.41974 411.0998 21.32672 411.5819 21.41547 412.0640 21.63910 412.5461 22.07956 413.0282 23.12370 413.5103 24.63597 413.9925 25.85242 414.4746 25.95927 414.9567 25.62126 415.4388 25.89648 415.9209 26.91222 416.4030 28.17462 416.8852 29.23943 417.3673 30.29387 417.8494 31.64316 418.3315 33.83127 418.8136 36.01883 419.2957 37.57672 419.7779 38.59525 420.2600 39.78537 420.7421 41.14397 421.2242 42.99872 421.7063 45.63498 422.1884 49.73389 422.6706 53.51010 423.1527 56.07553 423.6348 58.10663 424.1169 60.88254 424.5990 65.46878 425.0811 69.99738 425.5633 73.83936 426.0454 76.88226 426.5275 79.94727 427.0096 83.08652 427.4917 86.07196 427.9738 88.80765 428.4560 90.99850 428.9381 94.01089 429.4202 98.37869 429.9023 103.3850 430.3844 106.8712 430.8665 108.2271 431.3487 109.7524 431.8308 113.0201 432.3129 118.2101 432.7950 121.9863 433.2771 123.9052 433.7592 125.3708 434.2414 128.4658 434.7235 133.0856 435.2056 137.6543 435.6877 141.7755 436.1698 145.3703 436.6519 148.1005 437.1341 150.1032 437.6162 152.5328 438.0983 156.6885 438.5804 161.5741 439.0625 165.5331 439.5446 168.2466 440.0268 170.5199 440.5089 172.6358 440.9910 174.7401 441.4731 177.1760 441.9552 180.7736 442.4373 184.3825 442.9195 187.3982 443.4016 189.7861 443.8837 191.6292 444.3658 192.9715 444.8479 193.8317 445.3300 194.1718 445.8122 193.4592 446.2943 192.8854 446.7764 192.9237 447.2585 193.1964 447.7406 192.8260 448.2227 191.6126 448.7049 189.9423 449.1870 187.9875 449.6691 185.8742 450.1512 182.7120 450.6333 178.2976 451.1154 173.1019 451.5976 167.4592 452.0797 161.2714 452.5618 155.2038 453.0439 149.4632 453.5260 143.8904 454.0081 137.5686 454.4903 130.3793 454.9724 123.0752 455.4545 115.9154 455.9366 108.9531 456.4187 102.0405 456.9008 95.17294 457.3830 88.61719 457.8651 82.96307 458.3472 77.99182 458.8293 73.27347 459.3114 68.56696 459.7935 64.07556 460.2757 59.89957 460.7578 56.07745 461.2399 52.72089 461.7220 50.27148 462.2041 48.11075 462.6862 45.49146 463.1684 42.06561 463.6505 39.31775 464.1326 38.35193 464.6147 38.44455 465.0968 38.65576 465.5789 38.65176 466.0611 38.79123 466.5432 38.96530 467.0253 39.25082 467.5074 40.38342 467.9895 43.15546 468.4716 46.23486 468.9538 48.88889 469.4359 50.33972 469.9180 53.00903 470.4001 57.23193 470.8822 62.46744 471.3643 67.97339 471.8465 73.75861 472.3286 79.76526 472.8107 85.96112 473.2928 92.30243 473.7749 99.14572 474.2570 106.5011 474.7392 114.1118 475.2213 121.6872 475.7034 129.2995 476.1855 137.5591 476.6676 146.6532 477.1497 156.0251 477.6319 164.6663 478.1140 172.8544 478.5961 181.3694 479.0782 190.6848 479.5603 200.4265 480.0424 210.0566 480.5246 219.6810 481.0067 229.7809 481.4888 240.5193 481.9709 251.9335 482.4530 264.1124 482.9352 277.3287 483.4173 290.6499 483.8994 303.6230 484.3815 316.5340 484.8636 329.6845 485.3457 344.1515 485.8279 357.7827 486.3100 369.7776 486.7921 380.1521 487.2742 390.5340 487.7563 402.5760 488.2384 413.0900 488.7206 420.3877 489.2027 424.5544 489.6848 425.3326 490.1669 422.6616 490.6490 416.6733 491.1311 407.2548 491.6133 394.3417 492.0954 379.0384 492.5775 361.4805 493.0596 341.8059 493.5417 319.6985 494.0238 295.2108 494.5060 270.4615 494.9881 246.4205 495.4702 223.4953 495.9523 201.9516 496.4344 181.8906 496.9165 163.5614 497.3987 147.7283 497.8808 133.6957 498.3629 120.4756 498.8450 107.4983 499.3271 95.29803 499.8092 84.46414 500.2914 74.78354 500.7735 65.97491 501.2556 57.45847 501.7377 49.89307 502.2198 43.79184 502.7019 39.62003 503.1841 35.66898 503.6662 31.50873 504.1483 27.54919 504.6304 24.31735 505.1125 22.08398 505.5946 20.20880 506.0768 18.59958 506.5589 17.26288 507.0410 16.20938 507.5231 15.46698 508.0052 14.92123 508.4873 14.37585 508.9695 13.83578 509.4516 14.05527 509.9337 15.09308 510.4158 16.64932 510.8979 18.37979 511.3800 20.33398 511.8622 22.73239 512.3443 25.77094 512.8264 29.04062 513.3085 31.67496 513.7906 34.03488 514.2728 37.36835 514.7549 43.27124 515.2370 49.85504 515.7191 55.26181 516.2012 59.29056 516.6833 63.89246 517.1655 70.13080 517.6476 77.27063 518.1297 84.71204 518.6118 92.58304 519.0939 100.5784 519.5760 108.4093 520.0582 116.2801 520.5403 124.9035 521.0224 134.4824 521.5045 144.3332 521.9866 154.2026 522.4688 164.1296 522.9509 174.7161 523.4330 186.2631 523.9151 197.9631 524.3972 209.2686 524.8793 220.1217 525.3615 230.5798 525.8436 240.5286 526.3257 250.4873 526.8078 261.8151 527.2899 274.0639 527.7720 284.7820 528.2542 292.4065 528.7363 298.2833 529.2184 304.3573 529.7005 310.4234 530.1826 315.5701 530.6647 319.5767 531.1469 322.1574 531.6290 323.0382 532.1111 322.0800 532.5932 319.8435 533.0753 316.7174 533.5574 312.3985 534.0396 306.6322 534.5217 298.7002 535.0038 290.0528 535.4859 280.4878 535.9680 270.2976 536.4501 260.2761 536.9323 250.8130 537.4144 240.8987 537.8965 230.0609 538.3786 218.3024 538.8607 207.0126 539.3428 196.3234 539.8250 186.0554 540.3071 176.0767 540.7892 166.5378 541.2713 157.6518 541.7534 149.6221 542.2355 141.9870 542.7177 133.9308 543.1998 125.6543 543.6819 118.0331 544.1640 112.0574 544.6461 106.6171 545.1282 100.4868 545.6104 93.84583 546.0925 87.63498 546.5746 82.27065 547.0567 77.57809 547.5388 73.49539 548.0209 70.23297 548.5031 66.90111 548.9852 63.03305 549.4673 59.10933 549.9494 55.62706 550.4315 52.70006 550.9136 50.05328 551.3958 47.74458 551.8779 45.66113 552.3600 43.48926 552.8421 41.12607 553.3242 38.98419 553.8063 37.38411 554.2885 36.21320 554.7706 34.47253 555.2527 32.11224 555.7348 29.72231 556.2169 27.69591 556.6990 26.05519 557.1812 24.92899 557.6633 24.50230 558.1454 23.95978 558.6275 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